[(1Z,3Z)-1,4-bis(4-hydroxyphenyl)-3-methylidyneazaniumylbuta-1,3-dien-2-yl]-methylidyneazanium
Formula:C18H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(1Z,3Z)-1,4-bis(4-hydroxyphenyl)-3-methylidyneazaniumylbuta-1,3-dien-2-yl]-methylidyneazanium is a drug-like molecule.
| MolName | [(1Z,3Z)-1,4-bis(4-hydroxyphenyl)-3-methylidyneazaniumylbuta-1,3-dien-2-yl]-methylidyneazanium |
| MolecularFormula | C18H14N2O2 |
| Smiles | C#[N+]/C(/C(/[N+]#C)=C/c(cc1)ccc1O)=C\c(cc1)ccc1O |
| InChI | InChI=1S/C18H12N2O2/c1-19-17(11-13-3-7-15(21)8-4-13)18(20-2)12-14-5-9-16(22)10-6-14/h1-12H/p+2 |
| InChIK | KULLCBWFMRJJSX-UHFFFAOYSA-P |
| TotalMolweight | 290.321 |
| Molweight | 290.321 |
| MonoisotopicMass | 290.105528 |
| CLogP | 3.6482 |
| CLogS | -3.546 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 248.48 |
| Relative PSA | 0.24839 |
| PolarSurfaceArea | 49.18 |
| Druglikeness | -1.5398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 13 |
| StereoCon |
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1 - [(1Z,3Z)-1,4-bis(4-hydroxyphenyl)-3-methylidyneazaniumylbuta-1,3-dien-2-yl]-methylidyneazanium | 2 - [(1Z,3Z)-1,4-bis(4-hydroxyphenyl)-3-methylidyneazaniumylbuta-1,3-dien-2-yl]-methylidyneazanium
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